N-Methyltaurine 分子结构式
HCID7882

N-Methyltaurine

2-(methylamino)ethanesulfonic acid

C3H9NO3S139.18 g/molCAS 107-68-6

IDENTITY

结构与身份

标准SMILES
CNCCS(=O)(=O)O
InChIKey
SUZRRICLUFMAQD-UHFFFAOYSA-N
分子式
C3H9NO3S
平均分子量
139.18 g/mol
单同位素质量
139.03031432

COMPUTED

结构计算性质

已同步
XLogP
-3.6
极性表面积
74.8 Ų
氢键供体
2
氢键受体
4
可旋转键
3
重原子
8
形式电荷
0
复杂度
133

PROPERTIES

实验与物化性质

来源:PubChem
Solubility

Soluble (>=10 mg/ml at 70 °F) (NTP, 1992)

Melting Point

466 to 468 °F (NTP, 1992)

Physical Description

Yellowish-white powder. (NTP, 1992)

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (69.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P332+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 124 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

Chemical: Ethanesulfonic acid, 2-(methylamino)-

N-Methyltaurine: Does not have an individual approval but may be used under an appropriate group standard

Fire Hazards

This compound is probably combustible. (NTP, 1992)

Reactive Group

Amines, Phosphines, and Pyridines;Acids, Weak

Air and Water Reactions

Water soluble.

Hazard Classes and Categories

Skin Corr. 1B (75%);Skin Irrit. 2 (25%);Eye Dam. 1 (69.4%)

SAFETY

安全与防护

来源:PubChem
Fire Fighting

Fires involving this material can be controlled with a dry chemical, carabon dioxide, foam or Halon extinguisher. (NTP, 1992)

First Aid

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Personal Protective Equipment (PPE)

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: Ethanesulfonic acid, 2-(methylamino)-

N-Methyltaurine: Does not have an individual approval but may be used under an appropriate group standard

ALIASES

名称与别名

共 60 条
N-METHYLTAURINE2-(Methylamino)ethanesulfonic acidMethyltaurineEthanesulfonic acid, 2-(methylamino)-MonomethyltaurineTaurine, methylTaurine, N-methyl-N-methyl taurineCCRIS 4847EINECS 203-510-3NSC 10479UNII-1X4943TG5W2-methylaminoethanesulfonic acid1X4943TG5WMETHYLTAURINE, N-NSC-10479N-METHYLTAURINE [MI]DTXSID4025664.BETA.-METHYLAMINOETHANE-.ALPHA.-SULFONIC ACID2-(methylazaniumyl)ethanesulfonate

REACTIONS

参与反应

16
HRID 132748 反应方程式

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07388004B2

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HRID 160315 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 180527 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID 315622 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 347789 反应方程式

uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07176193B2

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HRID 677207 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID 897337 反应方程式

uspto-grants-2005_07 · 10.6084/m9.figshare.5104873.v1 · US06921759B2

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HRID 1264252 反应方程式

uspto-grants-2003_04 · 10.6084/m9.figshare.5104873.v1 · US06541505B1

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